• Formula : Cr2FeSe4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.27
    b = 3.62
    c = 11.85
    α = 90.0
    β = 90.82
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.333
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 43042

Band structure with spin-orbit coupling